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12-fluoro-9-methyl-2,10-dioxo-2??-thia-9-azatricyclo[9.4.0.0³,?]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylic acid

12-fluoro-9-methyl-2,10-dioxo-2??-thia-9-azatricyclo[9.4.0.0³,?]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylic acid

Formula: C15H10FNO4S

SMILES: CN1C2=C(C=CC(=C2)C(O)=O)S(=O)C2=CC=CC(F)=C2C1=O

IUPAC: 12-fluoro-9-methyl-2,10-dioxo-2??-thia-9-azatricyclo[9.4.0.0³,?]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylic acid

InChI: InChI=1/C15H10FNO4S/c1-17-10-7-8(15(19)20)5-6-11(10)22(21)12-4-2-3-9(16)13(12)14(17)18/h2-7H,1H3,(H,19,20)

Composition: C (56.42%), H (3.16%), F (5.95%), N (4.39%), O (20.04%), S (10.04%)

Molar Mass: 319.31

Atom Count: 32

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 319.031457143
Formal Charge 0
FSP3 0.07
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey ACFWIPCDIZKYJF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.18
Topological Polar Surface Area 74.68
Polarizability 29.9
Ring Count 3
Rotatable Bond Count 1

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Purity (%)
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Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C15H10FNO4S Quote Only